N-[(7R)-5-cyano-7-(4-cyanophenyl)-6-methyl-4-[3-(trifluoromethyl)phenyl]-7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]acetamide

C23H16F3N7O — CID 70222284

About N-[(7R)-5-cyano-7-(4-cyanophenyl)-6-methyl-4-[3-(trifluoromethyl)phenyl]-7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]acetamide

N-[(7R)-5-cyano-7-(4-cyanophenyl)-6-methyl-4-[3-(trifluoromethyl)phenyl]-7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]acetamide (PubChem CID 70222284) has the molecular formula C23H16F3N7O and a molecular weight of 463.42 g/mol. Its IUPAC name is N-[(7R)-5-cyano-7-(4-cyanophenyl)-6-methyl-4-[3-(trifluoromethyl)phenyl]-7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]acetamide.

Molecular Properties

• Compound Name: N-[(7R)-5-cyano-7-(4-cyanophenyl)-6-methyl-4-[3-(trifluoromethyl)phenyl]-7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]acetamide
• PubChem CID: 70222284
• Molecular Formula: C23H16F3N7O
• Molecular Weight: 463.42 g/mol
• Exact Mass: 463.14
• IUPAC Name: N-[(7R)-5-cyano-7-(4-cyanophenyl)-6-methyl-4-[3-(trifluoromethyl)phenyl]-7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]acetamide
• SMILES: CC(=O)Nc1nc2n(n1)[C@H](c1ccc(C#N)cc1)C(C)=C(C#N)N2c1cccc(C(F)(F)F)c1
• InChI: InChI=1S/C23H16F3N7O/c1-13-19(12-28)32(18-5-3-4-17(10-18)23(24,25)26)22-30-21(29-14(2)34)31-33(22)20(13)16-8-6-15(11-27)7-9-16/h3-10,20H,1-2H3,(H,29,31,34)/t20-/m0/s1
• InChIKey: SAWZWKPROYWFNI-FQEVSTJZSA-N
• XLogP: 4.67
• TPSA: 110.63 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	463.42
LogP ≤ 5	4.67
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[(7R)-5-cyano-7-(4-cyanophenyl)-6-methyl-4-[3-(trifluoromethyl)phenyl]-7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]acetamide?

The IUPAC name of N-[(7R)-5-cyano-7-(4-cyanophenyl)-6-methyl-4-[3-(trifluoromethyl)phenyl]-7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]acetamide (CID 70222284) is N-[(7R)-5-cyano-7-(4-cyanophenyl)-6-methyl-4-[3-(trifluoromethyl)phenyl]-7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]acetamide.

What is the SMILES notation for N-[(7R)-5-cyano-7-(4-cyanophenyl)-6-methyl-4-[3-(trifluoromethyl)phenyl]-7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]acetamide?

The canonical SMILES for N-[(7R)-5-cyano-7-(4-cyanophenyl)-6-methyl-4-[3-(trifluoromethyl)phenyl]-7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]acetamide is CC(=O)Nc1nc2n(n1)[C@H](c1ccc(C#N)cc1)C(C)=C(C#N)N2c1cccc(C(F)(F)F)c1.

What is the InChIKey of N-[(7R)-5-cyano-7-(4-cyanophenyl)-6-methyl-4-[3-(trifluoromethyl)phenyl]-7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]acetamide?

The InChIKey is SAWZWKPROYWFNI-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H16F3N7O/c1-13-19(12-28)32(18-5-3-4-17(10-18)23(24,25)26)22-30-21(29-14(2)34)31-33(22)20(13)16-8-6-15(11-27)7-9-16/h3-10,20H,1-2H3,(H,29,31,34)/t20-/m0/s1.

What are the key properties of N-[(7R)-5-cyano-7-(4-cyanophenyl)-6-methyl-4-[3-(trifluoromethyl)phenyl]-7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]acetamide?

N-[(7R)-5-cyano-7-(4-cyanophenyl)-6-methyl-4-[3-(trifluoromethyl)phenyl]-7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]acetamide has a molecular weight of 463.42 g/mol, XLogP of 4.67, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(7R)-5-cyano-7-(4-cyanophenyl)-6-methyl-4-[3-(trifluoromethyl)phenyl]-7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]acetamide is sourced from PubChem (CID 70222284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).